46 Commits

Author	SHA1	Message	Date
Thomas Applencourt	93b4d0c1bf	Update qp_convert_ezfio	2015-05-12 11:32:20 +02:00
Thomas Applencourt	f628bdee18	Rename MonoInts into Integrals_Monoelec	2015-05-12 11:05:07 +02:00
Anthony Scemama	e438d8582b	Removed Output module	2015-05-11 19:41:56 +02:00
Thomas Applencourt	4a45182ff7	Put pseudo in pseudo and add suport for SIZE un ezfio.cfg	2015-05-11 14:40:55 +02:00
Thomas Applencourt	7ccfee69a5	Add qp_utils.py for cache decorator, remove pickl in ei_handler.py	2015-05-05 11:05:27 +02:00
Thomas Applencourt	e5096621f2	Fix set_pseudo_integrals_do_pseudo = False in test	2015-05-02 13:29:57 +02:00
Thomas Applencourt	af52b1c4c3	Fix merge issue	2015-05-01 10:37:05 +02:00
Thomas Applencourt	5d29f3c8d9	Put prepare_ezfio.sh in ezfio_interface/	2015-04-30 14:27:32 +02:00
Thomas Applencourt	185616f7e3	Add capitzalise to EZFIO_convert_output for consitenciy	2015-04-28 14:03:44 +02:00
Thomas Applencourt	2090015c61	Merge pull request #10 from TApplencourt/master ... Merge with master	2015-04-21 18:00:32 +02:00
Thomas Applencourt	bf997c5583	Add all the mising file...	2015-04-20 18:42:52 +02:00
Thomas Applencourt	dcd4017cb9	Fix conflict	2015-04-20 16:08:19 +02:00
Thomas Applencourt	3b59fca0c7	Add EZFIO.cfg in determinants	2015-04-20 15:20:38 +02:00
Thomas Applencourt	78d42e2455	Add ezfio_dir to optional keyword in EZFIO.cfg	2015-04-20 09:48:38 +02:00
Thomas Applencourt	db558258b2	Remove WILL be DELETED and change ezfio_with_default in concequance	2015-04-20 09:11:12 +02:00
Thomas Applencourt	d45e611dad	Print is_bool() to debug in travis ci, canot see the bug in my machine	2015-04-16 14:31:28 +02:00
Thomas Applencourt	654b190506	stirp to strip()	2015-04-16 13:57:00 +02:00
Thomas Applencourt	74c9e03e2a	Try to solve the 'Bool.of_string: expected true or false but got True'	2015-04-16 13:35:29 +02:00
Thomas Applencourt	374c2c003c	Rename qp_convert and major cleaning in it	2015-04-16 10:59:45 +02:00
Thomas Applencourt	989fd4bc07	Add qp_convert_ezfio_v1_to_v2.sh	2015-04-14 09:54:04 +02:00
Thomas Applencourt	70de4546b8	Merge pull request #8 from TApplencourt/master ... Merge	2015-04-13 13:44:22 +02:00
Thomas Applencourt	92ce14a9b0	true -> True for the convention	2015-04-13 09:51:36 +02:00
Thomas Applencourt	db30bb8ec4	ezfio_v1_to_v2.py	2015-04-13 09:41:33 +02:00
Thomas Applencourt	6958490a02	Merge	2015-04-10 18:10:03 +02:00
Thomas Applencourt	1abca0aa68	Trying to merge	2015-04-10 18:05:47 +02:00
Anthony Scemama	9b2324ae51	Solved problem with lowercases	2015-04-07 10:17:38 +02:00
Thomas Applencourt	e5c2d5ee65	add michel routine	2015-04-03 13:34:27 +02:00
Thomas Applencourt	11c0013992	Autobuild qp_edit.ml	2015-04-02 14:46:24 +02:00
Thomas Applencourt	295579b7d9	Add docopt for a beter ei_handler.py cli	2015-04-02 10:28:44 +02:00
Thomas Applencourt	88db8c9ae6	Add new type Disk_access (Read Write None)	2015-04-01 14:14:01 +02:00
Thomas Applencourt	ba805c3d8e	'=' is not alowed in EZFIO.cfg. Ocaml bug	2015-03-31 11:41:07 +02:00
Thomas Applencourt	2c0480fcd8	Ocaml generator need l_ezfio_name and not l_provider	2015-03-31 11:14:45 +02:00
Thomas Applencourt	0a8d393dbc	BiInt => Bielec_integrals	2015-03-31 10:51:11 +02:00
Thomas Applencourt	ac7490635a	Add EZFIO.cfg to ezfio_generate_ocaml	2015-03-30 17:36:39 +02:00
Thomas Applencourt	4c3803f383	Add mo_guess into EZFIO.cfg	2015-03-30 16:50:27 +02:00
Thomas Applencourt	96d69921ff	Beter doc for ei_handler	2015-03-30 14:56:00 +02:00
Thomas Applencourt	757b785f30	Fix unit_test	2015-03-30 11:47:56 +02:00
Thomas Applencourt	d458696fcb	Add convert_ezfio.sh	2015-03-30 11:21:34 +02:00
Thomas Applencourt	53f473cfae	Add EZFIO.cfg to Hartree_fock	2015-03-30 11:17:09 +02:00
Thomas Applencourt	6bdbe6a78c	Cleaning ei_handler.py	2015-03-30 09:45:00 +02:00
Thomas Applencourt	d76f3683e1	Fixed ocaml generator	2015-03-27 18:15:23 +01:00
Thomas Applencourt	ba190353e8	ei_handler now handle ezfio_default	2015-03-27 17:25:57 +01:00
Thomas Applencourt	b281ab1248	Input need a default, not output !	2015-03-27 16:56:35 +01:00
Thomas Applencourt	fe93782666	ei_handler write Input_full_ci.ml	2015-03-27 16:12:47 +01:00
Thomas Applencourt	5845768b31	Cleaning ezfio_generate_ocaml	2015-03-27 11:20:22 +01:00
Thomas Applencourt	7db2751cdb	Add directory for ezfio_interface, first apparition of ezfio_generate_ocaml	2015-03-27 10:44:39 +01:00